Chem
J-GLOBAL ID:200907079242294004
Nikkaji number:J176.778J
Kadzusapogenol A
カズサポゲノールA
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Substance type:
Substance type
Substance type classified into 3 categories. Decided structure: Substances with a clear structure Undicided Structure: Substances with unknown or undetermined structure Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula:
C30 H50 O5
Molecular formula furigana:
C30-H50-O5
Molecular weight:
490.725
InChI:
InChI=1S/C30H50O5/c1-25(16-31)15-19-18-7-8-21-27(3)11-10-22(33)28(4,17-32)20(27)9-12-30(21,6)29(18,5)14-13-26(19,2)24(35)23(25)34/h7,19-24,31-35H,8-17H2,1-6H3/t19-,20+,21+,22-,23-,24+,25+,26+,27-,28+,29+,30+/m0/s1
InChI key:
TVXOVTFPCNWYNK-WBTRRIRNSA-N
SMILES:
C[C@]1(CO)C[C@H]2C3=CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@](C)(CO)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]2(C)[C@H](O)[C@@H]1O
Systematic name (3):
(+)-オレアナ-12-エン-3β,21β,22β,24,29-ペンタオール
(2R,3R,4S,4aR,6aS,6bR,8aR,9S,10S,12aR,12bR,14bS)-2,9-ビス(ヒドロキシメチル)-2,4a,6a,6b,9,12a-ヘキサメチル-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-イコサヒドロピセン-3,4,10-トリオール
(2R,3R,4S,4aR,6aS,6bR,8aR,9S,10S,12aR,12bR,14bS)-2,9-bis(hydroxymethyl)-2,4a,6a,6b,9,12a-hexamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-3,4,10-triol
Other name (9):
カズサポゲノールA
(+)-カズサポゲノールA
Kadzusapogenol A
(+)-クズサポゲノールA
(+)-Kudzusapogenol A
(+)-Kadzusapogenol A
Kudzusapogenol A
クズサポゲノールA
(+)-Oleana-12-ene-3β,21β,22β,24,29-pentol
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CAS registry number:
96820-46-1
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